3-(1H-indol-3-yl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
Basic information
- CAS
18904-53-5- Standard SMILES
CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
OFRAUBNHWUYJIM-UHFFFAOYSA-N- Molecular formula
- C24H27N3O5
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.19507097
Names & identifiers
- Preferred name
- 3-(1H-indol-3-yl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
- IUPAC
- 3-(1H-indol-3-yl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
- English name
- Z-Val-Trp-OH
- Molecular formula
- C24H27N3O5
- Molecular weight
- 437.49
Names & synonyms
MLS003171003NSC3437323-(1H-indol-3-yl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acidDTXSID00940412HMS3338L18(2S)-2-[(2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHYLBUTANAMIDO]-3-(1H-INDOL-3-YL)PROPANOIC ACIDNSC-343732SMR001874914G84860N-(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-methylbutylidene)tryptophanZ-Val-TrpZ-Val-Trp-OH
Show more names
Z-Val-Trp-OH99%((Benzyloxy)carbonyl)-L-valyl-L-tryptophanL-Tryptophan, N-[(phenylmethoxy)carbonyl]-L-valyl-
Database identifiers
- CAS
18904-53-5- PubChem CID
- 335266
- DTXSID
DTXSID00940412
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 650
Physicochemical properties
- Melting point
- 217 · 217-218 °C
- Boiling point
- 741.1 · 741.1±60.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.45 · 3.45±0.10(Predicted)
Chemistry & industry
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